N-(4-ethoxyphenyl)-2-[5-(4-ethoxyphenyl)-4,6-dioxo-4,5,6,6a-tetrahydropyrrolo[3,4-d][1,2,3]triazol-1(3aH)-yl]acetamide
Chemical Structure Depiction of
N-(4-ethoxyphenyl)-2-[5-(4-ethoxyphenyl)-4,6-dioxo-4,5,6,6a-tetrahydropyrrolo[3,4-d][1,2,3]triazol-1(3aH)-yl]acetamide
N-(4-ethoxyphenyl)-2-[5-(4-ethoxyphenyl)-4,6-dioxo-4,5,6,6a-tetrahydropyrrolo[3,4-d][1,2,3]triazol-1(3aH)-yl]acetamide
Compound characteristics
| Compound ID: | C433-0131 |
| Compound Name: | N-(4-ethoxyphenyl)-2-[5-(4-ethoxyphenyl)-4,6-dioxo-4,5,6,6a-tetrahydropyrrolo[3,4-d][1,2,3]triazol-1(3aH)-yl]acetamide |
| Molecular Weight: | 437.45 |
| Molecular Formula: | C22 H23 N5 O5 |
| Smiles: | CCOc1ccc(cc1)NC(CN1C2C(C(N(C2=O)c2ccc(cc2)OCC)=O)N=N1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 1.9836 |
| logD: | 1.9835 |
| logSw: | -2.6501 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 94.769 |
| InChI Key: | QYEGCUUQMCNPED-UHFFFAOYSA-N |